Abstract
Introduction: Fucoidan from seaweed has gained significant attention due to its diverse therapeutic properties. Its antibacterial potential in periodontitis needs exploration. Objective: This paper aims to explore the suitability of fucoidan to treat periodontitis by molecular docking methods. Methods: Molecular docking of fucoidan was done with targets from Porphyromonas gingivalis, Treponema denticola, Tannerella forsythia, and Aggregatibacter actinomycetemcomitans. Binding energy, inhibition constant, number of hydrogen bonds, aminoacid residues involved in H-Bond were identified. Control docking was done with chlorhexidine and compared. Results: Docking of Porphyromonas gingivalis enzyme, gingipain K (Kgp) with fucoidan had an inhibition constant of -6.83, ODP from T. denticola with fucoidan had binding energy of -4.52, anti-CRISPR protein AcrIF9 with fucoidan had a binding energy of 4.81 and Tannerella forsythia potempin E with Fucoidan had a binding energy of -3.09 all expresssed as kcal/mol. Respective inhibition constants were 67.3 µM, 485.11µM, 295.72 µM and 5.47 mM. All binding energies ranged from -3 to -6 range suitable for inhibition of their targets. Conclusion: Inhibition constant for targets from T. denticola and A. actinomycetemcomitans had highest values indicating that fucoidan inhibits T. denticola and A. actinomycetemcomitans more significantly than P. gingivalis and T. forsythia.